SCHEMBL21175

SCHEMBL21175

COc1cc(Nc2nc3c(-c4ccccc4)nccn3n2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CDK2 P24941 1/20 0.51
PLK1 P53350 1/20 0.51
PLK3 Q9H4B4 1/20 0.51
PTK2 Q05397 8/20 0.50
JAK2 O60674 4/20 0.50
AXL P30530 1/20 0.50
INSR P06213 1/20 0.50
ALK Q9UM73 1/20 0.50
JAK3 P52333 2/20 0.49
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19738 0.87 KDR (0.53) MEN1CYP1A2KMT2APTK2JAK2
SCHEMBL20010 0.83 KDR (0.52) MAPTJAK2JAK3SYK
SCHEMBL19913 0.82 JAK2 (0.50) MEN1CYP1A2CYP2C19KMT2ACDK2
SCHEMBL15212646 0.81 JAK2 (0.55) FLT3PLK1PTK2JAK2JAK3
SCHEMBL21816 0.80 CHEK1 (0.49) FLT3MAPTCDK2PLK1PTK2
SCHEMBL21661 0.80 JAK2 (0.51) PTK2JAK2JAK3ADORA2A
SCHEMBL21968 0.79 JAK2 (0.54) PTK2JAK2JAK3
SCHEMBL19086 0.79 JAK2 (0.47) MEN1CYP1A2MAPTKMT2APTK2
SCHEMBL20400 0.79 FLT1 (0.54) MAPTCDK2PTK2JAK2JAK3
SCHEMBL16394542 0.78 JAK2 (0.65) FLT3PTK2JAK2JAK3SYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES SYK, IRAK1, ZAP70 FLT3 16/4885MEN1 4713/4885CYP1A2 624/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.